smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(Nc2ccc(Cl)cc2Cl)cc(N2CC[NH+](C)CC2)n1	ZINC000216849294	132271721	/nfs/dbraw/zinc/27/17/21/132271721.db2.gz	IAYXTMKIIDVRCX-UHFFFAOYSA-N	1	1	352.269	3.587	40	70		FHIBMO
Cc1cc(-c2nnc(C[N@@H+]3CCCN(c4ccccc4)CC3)o2)c(C)o1	ZINC000161443672	571143038	/nfs/dbraw/zinc/14/30/38/571143038.db2.gz	GGFIIBAJPHNYPF-UHFFFAOYSA-N	1	1	352.438	3.659	40	70		FHIBMO
Cc1cc(-c2nnc(C[N@H+]3CCCN(c4ccccc4)CC3)o2)c(C)o1	ZINC000161443672	571143042	/nfs/dbraw/zinc/14/30/42/571143042.db2.gz	GGFIIBAJPHNYPF-UHFFFAOYSA-N	1	1	352.438	3.659	40	70		FHIBMO
Cc1nc(Nc2cc(Cl)cc(Cl)c2)cc(N2CC[NH+](C)CC2)n1	ZINC000216849368	132271739	/nfs/dbraw/zinc/27/17/39/132271739.db2.gz	VLIRXRKZUMVEAN-UHFFFAOYSA-N	1	1	352.269	3.587	40	70		FHIBMO
C[N@H+]1CCC[C@@H](C(=O)NCCSCc2ccc(Cl)cc2Cl)C1	ZINC000216907050	523812040	/nfs/dbraw/zinc/81/20/40/523812040.db2.gz	PYVMWXLKDLSZIT-GFCCVEGCSA-N	1	1	361.338	3.685	40	70		FHIBMO
C[NH+]1CCN(c2cc(Nc3ccccc3Oc3ccccc3)ncn2)CC1	ZINC000216848125	523924343	/nfs/dbraw/zinc/92/43/43/523924343.db2.gz	QQPBDVRQBZFMAR-UHFFFAOYSA-N	1	1	361.449	3.764	40	70		FHIBMO
Cc1nc(Nc2cccc(Cl)c2Cl)cc(N2CC[NH+](C)CC2)n1	ZINC000216849252	132271496	/nfs/dbraw/zinc/27/14/96/132271496.db2.gz	YFJOVUYSECSWCL-UHFFFAOYSA-N	1	1	352.269	3.587	40	70		FHIBMO
C[N@H+]1CCC[C@H](C(=O)NCCSCc2c(Cl)cccc2Cl)C1	ZINC000216907625	523836550	/nfs/dbraw/zinc/83/65/50/523836550.db2.gz	VZFOFTUBCYGLEX-LBPRGKRZSA-N	1	1	361.338	3.685	40	70		FHIBMO
C[NH+]1CCN(c2cc(Nc3ccc(Oc4ccccc4)cc3)ncn2)CC1	ZINC000216847517	523923844	/nfs/dbraw/zinc/92/38/44/523923844.db2.gz	YJIHWWAEQZFZJF-UHFFFAOYSA-N	1	1	361.449	3.764	40	70		FHIBMO
Cc1nc(Nc2ccc(Cl)c(Cl)c2)cc(N2CC[NH+](C)CC2)n1	ZINC000216849332	132271596	/nfs/dbraw/zinc/27/15/96/132271596.db2.gz	QMCAWQBWWKSLEM-UHFFFAOYSA-N	1	1	352.269	3.587	40	70		FHIBMO
C[NH+]1CCN(c2cc(Nc3ccc(Cl)c(C(F)(F)F)c3)ncn2)CC1	ZINC000216847214	132271547	/nfs/dbraw/zinc/27/15/47/132271547.db2.gz	OBAONIWKCBDHEI-UHFFFAOYSA-N	1	1	371.794	3.644	40	70		FHIBMO
CSc1nc(Nc2ccc(C)c(Cl)c2)cc(N2CC[NH+](C)CC2)n1	ZINC000216851479	526214505	/nfs/dbraw/zinc/21/45/05/526214505.db2.gz	AEBODBQZHJNNDP-UHFFFAOYSA-N	1	1	363.918	3.656	40	70		FHIBMO
C[N@H+]1CCC[C@H](C(=O)NCCSCc2ccc(Cl)c(Cl)c2)C1	ZINC000216907236	523838741	/nfs/dbraw/zinc/83/87/41/523838741.db2.gz	GXLFUWPHMCMOST-ZDUSSCGKSA-N	1	1	361.338	3.685	40	70		FHIBMO
CSc1nc(Nc2ccc(Cl)cc2C)cc(N2CC[NH+](C)CC2)n1	ZINC000216851439	132271727	/nfs/dbraw/zinc/27/17/27/132271727.db2.gz	VPOJUVLSOLPCOA-UHFFFAOYSA-N	1	1	363.918	3.656	40	70		FHIBMO
CSc1nc(Nc2cccc(Cl)c2C)cc(N2CC[NH+](C)CC2)n1	ZINC000216851393	132271560	/nfs/dbraw/zinc/27/15/60/132271560.db2.gz	YMYFBWMKMFVELR-UHFFFAOYSA-N	1	1	363.918	3.656	40	70		FHIBMO
CSc1nc(Nc2cccc3ccccc32)cc(N2CC[NH+](C)CC2)n1	ZINC000216850989	132271790	/nfs/dbraw/zinc/27/17/90/132271790.db2.gz	PXUNQLOUAKPFGF-UHFFFAOYSA-N	1	1	365.506	3.847	40	70		FHIBMO
C[N@H+]1CCC[C@@H](C(=O)NCCSCc2ccc(Cl)c(Cl)c2)C1	ZINC000216907205	523813536	/nfs/dbraw/zinc/81/35/36/523813536.db2.gz	GXLFUWPHMCMOST-CYBMUJFWSA-N	1	1	361.338	3.685	40	70		FHIBMO
C[N@H+]1CCC[C@@H](C(=O)NCCSCc2c(Cl)cccc2Cl)C1	ZINC000216907597	523812964	/nfs/dbraw/zinc/81/29/64/523812964.db2.gz	VZFOFTUBCYGLEX-GFCCVEGCSA-N	1	1	361.338	3.685	40	70		FHIBMO
CSc1nc(Nc2ccc(C(C)C)cc2)cc(N2CC[NH+](C)CC2)n1	ZINC000216850950	526215448	/nfs/dbraw/zinc/21/54/48/526215448.db2.gz	MCRHHEAKNUPBGL-UHFFFAOYSA-N	1	1	357.527	3.817	40	70		FHIBMO
C[N@H+]1CCC[C@H](C(=O)NCCSCc2ccc(Cl)cc2Cl)C1	ZINC000216907081	523837943	/nfs/dbraw/zinc/83/79/43/523837943.db2.gz	PYVMWXLKDLSZIT-LBPRGKRZSA-N	1	1	361.338	3.685	40	70		FHIBMO